| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:03 UTC |
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| Update Date | 2025-03-25 00:50:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180923 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16O8 |
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| Molecular Mass | 264.0845 |
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| SMILES | O=C(O)CCC(CC(=O)O)OC(=O)CC(O)CO |
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| InChI Key | JEQWFLCZPQSUIU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidtricarboxylic acid or derivativeshydroxy acidfatty acid esterbeta-hydroxy acidorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound1,2-diol |
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